hydride;2-phenylethenesulfonic acid;rubidium(1+)

C8H9O3RbS — CID 173085855

IUPAChydride;2-phenylethenesulfonic acid;rubidium(1+)
SMILESO=S(=O)(O)C=Cc1ccccc1.[H-].[Rb+]
InChIInChI=1S/C8H8O3S.Rb.H/c9-12(10,11)7-6-8-4-2-1-3-5-8;;/h1-7H,(H,9,10,11);;/q;+1;-1
InChIKeyDAVYXLCFCUCXJS-UHFFFAOYSA-N
MW270.69 g/mol
LogP-1.34
Rot. Bonds2

About hydride;2-phenylethenesulfonic acid;rubidium(1+)

hydride;2-phenylethenesulfonic acid;rubidium(1+) (PubChem CID 173085855) has the molecular formula C8H9O3RbS and a molecular weight of 270.69 g/mol. Its IUPAC name is hydride;2-phenylethenesulfonic acid;rubidium(1+).

Molecular Properties

Compound Namehydride;2-phenylethenesulfonic acid;rubidium(1+)
PubChem CID173085855
Molecular FormulaC8H9O3RbS
Molecular Weight270.69 g/mol
Exact Mass269.94
IUPAC Namehydride;2-phenylethenesulfonic acid;rubidium(1+)
SMILESO=S(=O)(O)C=Cc1ccccc1.[H-].[Rb+]
InChIInChI=1S/C8H8O3S.Rb.H/c9-12(10,11)7-6-8-4-2-1-3-5-8;;/h1-7H,(H,9,10,11);;/q;+1;-1
InChIKeyDAVYXLCFCUCXJS-UHFFFAOYSA-N
XLogP-1.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.69
LogP ≤ 5-1.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hydride;2-phenylethenesulfonic acid;rubidium(1+)?
The IUPAC name of hydride;2-phenylethenesulfonic acid;rubidium(1+) (CID 173085855) is hydride;2-phenylethenesulfonic acid;rubidium(1+).
What is the SMILES notation for hydride;2-phenylethenesulfonic acid;rubidium(1+)?
The canonical SMILES for hydride;2-phenylethenesulfonic acid;rubidium(1+) is O=S(=O)(O)C=Cc1ccccc1.[H-].[Rb+].
What is the InChIKey of hydride;2-phenylethenesulfonic acid;rubidium(1+)?
The InChIKey is DAVYXLCFCUCXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3S.Rb.H/c9-12(10,11)7-6-8-4-2-1-3-5-8;;/h1-7H,(H,9,10,11);;/q;+1;-1.
What are the key properties of hydride;2-phenylethenesulfonic acid;rubidium(1+)?
hydride;2-phenylethenesulfonic acid;rubidium(1+) has a molecular weight of 270.69 g/mol, XLogP of -1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydride;2-phenylethenesulfonic acid;rubidium(1+) is sourced from PubChem (CID 173085855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).